Crystallography Open Database

Information card for entry 1569773

Preview

Coordinates	1569773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H120 Cl4 Ir4 N8 Na O13
Calculated formula	C120 H120 Cl4 Ir4 N8 Na O13
Title of publication	Lewis acid-driven self-assembly of diiridium macrocyclic catalysts imparts substrate selectivity and glutathione tolerance.
Authors of publication	Nguyen, Hieu D.; Jana, Rahul D.; Campbell, Dylan T.; Tran, Thi V.; Do, Loi H.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	37
Pages of publication	10264 - 10272
a	27.7943 ± 0.0005 Å
b	16.036 ± 0.0003 Å
c	34.0568 ± 0.0006 Å
α	90°
β	110.683 ± 0.001°
γ	90°
Cell volume	14201.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286696 (current)	2023-10-06	cif/ Updating files of 1569773 Original log message: Adding full bibliography for 1569773.cif.	1569773.cif
285994	2023-09-05	cif/ Adding structures of 1569773 via cif-deposit CGI script.	1569773.cif